4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine

C50H33N7O2 — CID 154990018

IUPAC4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H
InChIKeyUUUUGYHBMJFHPK-UHFFFAOYSA-N
MW763.86 g/mol
LogP13.22
Rot. Bonds7

About 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine

4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 154990018) has the molecular formula C50H33N7O2 and a molecular weight of 763.86 g/mol. Its IUPAC name is 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
PubChem CID154990018
Molecular FormulaC50H33N7O2
Molecular Weight763.86 g/mol
Exact Mass763.27
IUPAC Name4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H
InChIKeyUUUUGYHBMJFHPK-UHFFFAOYSA-N
XLogP13.22
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.86
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine (CID 154990018) is 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine is c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is UUUUGYHBMJFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H.
What are the key properties of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 763.86 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 154990018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).